3-[2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)acetyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone;2-ethoxypyridine-3-carboxylic acid;methyl 2-ethoxypyridine-3-carboxylate;methyl 2-oxo-1H-pyridine-3-carboxylate;methyl 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylate;2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid

C83H81F12N11O21 — CID 165036436

About 3-[2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)acetyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone;2-ethoxypyridine-3-carboxylic acid;methyl 2-ethoxypyridine-3-carboxylate;methyl 2-oxo-1H-pyridine-3-carboxylate;methyl 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylate;2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid

3-[2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)acetyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone;2-ethoxypyridine-3-carboxylic acid;methyl 2-ethoxypyridine-3-carboxylate;methyl 2-oxo-1H-pyridine-3-carboxylate;methyl 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylate;2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid (PubChem CID 165036436) has the molecular formula C83H81F12N11O21 and a molecular weight of 1796.59 g/mol. Its IUPAC name is 3-[2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)acetyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone;2-ethoxypyridine-3-carboxylic acid;methyl 2-ethoxypyridine-3-carboxylate;methyl 2-oxo-1H-pyridine-3-carboxylate;methyl 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylate;2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 3-[2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)acetyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone;2-ethoxypyridine-3-carboxylic acid;methyl 2-ethoxypyridine-3-carboxylate;methyl 2-oxo-1H-pyridine-3-carboxylate;methyl 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylate;2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid
• PubChem CID: 165036436
• Molecular Formula: C83H81F12N11O21
• Molecular Weight: 1796.59 g/mol
• Exact Mass: 1795.54
• IUPAC Name: 3-[2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)acetyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone;2-ethoxypyridine-3-carboxylic acid;methyl 2-ethoxypyridine-3-carboxylate;methyl 2-oxo-1H-pyridine-3-carboxylate;methyl 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylate;2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid
• SMILES: CCOc1cc2nc(C3CC3)cn2cc1CC(=O)c1cccn(CC(F)(F)F)c1=O.CCOc1cc2nc(C3CC3)cn2cc1CC(=O)c1cccnc1OCC(F)(F)F.CCOc1ncccc1C(=O)O.CCOc1ncccc1C(=O)OC.COC(=O)c1ccc[nH]c1=O.COC(=O)c1cccn(CC(F)(F)F)c1=O.O=C(O)c1cccn(CC(F)(F)F)c1=O
• InChI: InChI=1S/2C21H20F3N3O3.C9H8F3NO3.C9H11NO3.C8H6F3NO3.C8H9NO3.C7H7NO3/c1-2-30-18-9-19-25-16(13-5-6-13)11-27(19)10-14(18)8-17(28)15-4-3-7-26(20(15)29)12-21(22,23)24;1-2-29-18-9-19-26-16(13-5-6-13)11-27(19)10-14(18)8-17(28)15-4-3-7-25-20(15)30-12-21(22,23)24;1-16-8(15)6-3-2-4-13(7(6)14)5-9(10,11)12;1-3-13-8-7(9(11)12-2)5-4-6-10-8;9-8(10,11)4-12-3-1-2-5(6(12)13)7(14)15;1-2-12-7-6(8(10)11)4-3-5-9-7;1-11-7(10)5-3-2-4-8-6(5)9/h2*3-4,7,9-11,13H,2,5-6,8,12H2,1H3;2-4H,5H2,1H3;4-6H,3H2,1-2H3;1-3H,4H2,(H,14,15);3-5H,2H2,1H3,(H,10,11);2-4H,1H3,(H,8,9)
• InChIKey: NLESLEUKHZZJHO-UHFFFAOYSA-N
• XLogP: 13.04
• TPSA: 405.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1796.59
LogP ≤ 5	13.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)acetyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone;2-ethoxypyridine-3-carboxylic acid;methyl 2-ethoxypyridine-3-carboxylate;methyl 2-oxo-1H-pyridine-3-carboxylate;methyl 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylate;2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid?

The IUPAC name of 3-[2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)acetyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone;2-ethoxypyridine-3-carboxylic acid;methyl 2-ethoxypyridine-3-carboxylate;methyl 2-oxo-1H-pyridine-3-carboxylate;methyl 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylate;2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid (CID 165036436) is 3-[2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)acetyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone;2-ethoxypyridine-3-carboxylic acid;methyl 2-ethoxypyridine-3-carboxylate;methyl 2-oxo-1H-pyridine-3-carboxylate;methyl 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylate;2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid.

What is the SMILES notation for 3-[2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)acetyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone;2-ethoxypyridine-3-carboxylic acid;methyl 2-ethoxypyridine-3-carboxylate;methyl 2-oxo-1H-pyridine-3-carboxylate;methyl 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylate;2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid?

The canonical SMILES for 3-[2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)acetyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone;2-ethoxypyridine-3-carboxylic acid;methyl 2-ethoxypyridine-3-carboxylate;methyl 2-oxo-1H-pyridine-3-carboxylate;methyl 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylate;2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid is CCOc1cc2nc(C3CC3)cn2cc1CC(=O)c1cccn(CC(F)(F)F)c1=O.CCOc1cc2nc(C3CC3)cn2cc1CC(=O)c1cccnc1OCC(F)(F)F.CCOc1ncccc1C(=O)O.CCOc1ncccc1C(=O)OC.COC(=O)c1ccc[nH]c1=O.COC(=O)c1cccn(CC(F)(F)F)c1=O.O=C(O)c1cccn(CC(F)(F)F)c1=O.

What is the InChIKey of 3-[2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)acetyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone;2-ethoxypyridine-3-carboxylic acid;methyl 2-ethoxypyridine-3-carboxylate;methyl 2-oxo-1H-pyridine-3-carboxylate;methyl 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylate;2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid?

The InChIKey is NLESLEUKHZZJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20F3N3O3.C9H8F3NO3.C9H11NO3.C8H6F3NO3.C8H9NO3.C7H7NO3/c1-2-30-18-9-19-25-16(13-5-6-13)11-27(19)10-14(18)8-17(28)15-4-3-7-26(20(15)29)12-21(22,23)24;1-2-29-18-9-19-26-16(13-5-6-13)11-27(19)10-14(18)8-17(28)15-4-3-7-25-20(15)30-12-21(22,23)24;1-16-8(15)6-3-2-4-13(7(6)14)5-9(10,11)12;1-3-13-8-7(9(11)12-2)5-4-6-10-8;9-8(10,11)4-12-3-1-2-5(6(12)13)7(14)15;1-2-12-7-6(8(10)11)4-3-5-9-7;1-11-7(10)5-3-2-4-8-6(5)9/h2*3-4,7,9-11,13H,2,5-6,8,12H2,1H3;2-4H,5H2,1H3;4-6H,3H2,1-2H3;1-3H,4H2,(H,14,15);3-5H,2H2,1H3,(H,10,11);2-4H,1H3,(H,8,9).

What are the key properties of 3-[2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)acetyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone;2-ethoxypyridine-3-carboxylic acid;methyl 2-ethoxypyridine-3-carboxylate;methyl 2-oxo-1H-pyridine-3-carboxylate;methyl 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylate;2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid?

3-[2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)acetyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone;2-ethoxypyridine-3-carboxylic acid;methyl 2-ethoxypyridine-3-carboxylate;methyl 2-oxo-1H-pyridine-3-carboxylate;methyl 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylate;2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid has a molecular weight of 1796.59 g/mol, XLogP of 13.04, 26 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)acetyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone;2-ethoxypyridine-3-carboxylic acid;methyl 2-ethoxypyridine-3-carboxylate;methyl 2-oxo-1H-pyridine-3-carboxylate;methyl 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylate;2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 165036436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).